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AG-13958 monohydrochloride

CAT: 0013-GTR19210602-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210602-01Size:25 mg
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Description
AG-13958 monohydrochloride is the hydrochloride salt form of AG-13958, a small molecule inhibitor of VEGFA signaling. It is a research tool for studying angiogenesis, particularly in models of neovascular age-related macular degeneration (AMD), both in vitro and in vivo.
CAS Number
319463-49-5
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
C (=C/C1=CC=CC=N1) \C=2C=3C (=CC (NC4=CC (NC (=O) C=5N (C) N=C (C) C5) =C (F) C=C4) =CC3) NN2.Cl
Molecular Formula
C26H23ClFN7O
Molecular Weight
503.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AG-13958 monohydrochloride
CAS Number319463-49-5
PubChem CID69372072
IUPAC NameN-[2-fluoro-5-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]phenyl]-2,5-dimethylpyrazole-3-carboxamide;hydrochloride
Molecular FormulaC26H23ClFN7O
Molecular Weight504.0
Topological Polar Surface Area101
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity753
SMILES
CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)NC3=CC4=C(C=C3)C(=NN4)/C=C/C5=CC=CC=N5)F)C.Cl
InChI
InChI=1S/C26H22FN7O.ClH/c1-16-13-25(34(2)33-16)26(35)30-24-15-19(7-10-21(24)27)29-18-6-9-20-22(31-32-23(20)14-18)11-8-17-5-3-4-12-28-17;/h3-15,29H,1-2H3,(H,30,35)(H,31,32);1H/b11-8+;
InChIKey
BRTPJWBYMBBEHE-YGCVIUNWSA-N
Chemical Structure
2D Structure
2D structure of AG-13958 monohydrochloride
CAS: 319463-49-5
CID: 69372072
Formula: C26H23ClFN7O
MW: 504.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass503.1636642
Monoisotopic Mass503.1636642
Topological Polar Surface Area101 Ų
Heavy Atom Count36
Formal Charge0
Complexity753
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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